3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoic acid Openeye Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoic acid CAS Name: 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]propanoic acid IUPAC Name: 3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propionic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCC(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCC(=O)O)C

InChI

InChI=1S/C11H12N2O2S/c1-7-5-8(2)13-11(9(7)6-12)16-4-3-10(14)15/h5H,3-4H2,1-2H3,(H,14,15)